Back to Features of PM6
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DHf: 99.8 kcal/mol, REF: No reference available, but data are consistent with other data.
TRIPLET UHF Methylene, triplet H=99.8 HR=DUMMY H 0.00000000 +0 0.0000000 +0 0.0000000 +0 0.0000 C 1.01881346 +1 0.0000000 +0 0.0000000 +0 1 0 0 0.0000 H 1.01881048 +1 178.1568927 +1 0.0000000 +0 2 1 0 0.0000